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ASINEX-ZINC02527708

 MMsINC code: MMs00274401
Type: Neutral
Formula: C8H10FNO
SMILES:   Fc1cc(OCC)c(N)cc1
InChI:   InChI=1/C8H10FNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.6813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.172 g/mol  logS: -1.77833  SlogP: 1.8066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256406  Sterimol/B1: 2.3765  Sterimol/B2: 2.37714  Sterimol/B3: 4.1694
  Sterimol/B4: 4.68625  Sterimol/L: 11.0866 
 
 Surface and Volume Properties
  Accessible surface: 345.313  Positive charged surface: 223.256  Negative charged surface: 122.057  Volume: 151.25
  Hydrophobic surface: 262.258  Hydrophilic surface: 83.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.